| CAS Number | 183990-48-9 |
| Catalog Number | AG00ALLM(AGN-PC-0O5900) |
| Chemical Name | Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)- (9CI) |
| IUPAC Name | (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid |
| InChI | InChI=1S/C10H19NO4/c1-5-7(6-8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1 |
| InChI Key | RJCHFHWEJSMOJW-ZETCQYMHSA-N |
| MDL Number | MFCD08275907 |
| Molecular Formula | C10H19NO4 |
| Molecular Weight | 217.2622 |
| SMILES | CC[C@H](NC(OC(C)(C)C)=O)CC(O)=O |
| Synonyms | 183990-48-9,
PENTANOIC ACID, 3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (3S)- (9CI),
Boc-Ape(3)-OH,
(S)-3-((tert-Butoxycarbonyl)amino)pentanoic acid,
SCHEMBL4981261,
CTK6B1622,
ZINC22014076,
FCH4044431,
ACM183990489,
AS-72482,
(3S)-3-(tert-Butoxycarbonylamino)valeric acid,
(S)-3-[(t-Butoxycarbonyl)amino]pentanoic acid,
(3S)-3-{[(tert-butoxy)carbonyl]amino}pentanoic acid,
(3S)-N-T-BUTOXYCARBONYL-3-AMINOPENTANOIC ACID,
AJ-80579,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.131408g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.26g/mol |
| Monoisotopic Mass | 217.131408g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number